(3Z,9Z)-4,10-dimethyl-1,7-dioxacyclododeca-3,9-diene-2,8-dione

C12H16O4 — CID 146684118

IUPAC(3Z,9Z)-4,10-dimethyl-1,7-dioxacyclododeca-3,9-diene-2,8-dione
SMILESC/C1=C/C(=O)OCC/C(C)=C\C(=O)OCC1
InChIInChI=1S/C12H16O4/c1-9-3-5-15-12(14)8-10(2)4-6-16-11(13)7-9/h7-8H,3-6H2,1-2H3/b9-7-,10-8-
InChIKeyCBHNZDJUUAXCBA-XOHWUJONSA-N
MW224.26 g/mol
LogP1.76
Rot. Bonds

About (3Z,9Z)-4,10-dimethyl-1,7-dioxacyclododeca-3,9-diene-2,8-dione

(3Z,9Z)-4,10-dimethyl-1,7-dioxacyclododeca-3,9-diene-2,8-dione (PubChem CID 146684118) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is (3Z,9Z)-4,10-dimethyl-1,7-dioxacyclododeca-3,9-diene-2,8-dione.

Molecular Properties

Compound Name(3Z,9Z)-4,10-dimethyl-1,7-dioxacyclododeca-3,9-diene-2,8-dione
PubChem CID146684118
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Name(3Z,9Z)-4,10-dimethyl-1,7-dioxacyclododeca-3,9-diene-2,8-dione
SMILESC/C1=C/C(=O)OCC/C(C)=C\C(=O)OCC1
InChIInChI=1S/C12H16O4/c1-9-3-5-15-12(14)8-10(2)4-6-16-11(13)7-9/h7-8H,3-6H2,1-2H3/b9-7-,10-8-
InChIKeyCBHNZDJUUAXCBA-XOHWUJONSA-N
XLogP1.76
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3Z,9Z)-4,10-dimethyl-1,7-dioxacyclododeca-3,9-diene-2,8-dione?
The IUPAC name of (3Z,9Z)-4,10-dimethyl-1,7-dioxacyclododeca-3,9-diene-2,8-dione (CID 146684118) is (3Z,9Z)-4,10-dimethyl-1,7-dioxacyclododeca-3,9-diene-2,8-dione.
What is the SMILES notation for (3Z,9Z)-4,10-dimethyl-1,7-dioxacyclododeca-3,9-diene-2,8-dione?
The canonical SMILES for (3Z,9Z)-4,10-dimethyl-1,7-dioxacyclododeca-3,9-diene-2,8-dione is C/C1=C/C(=O)OCC/C(C)=C\C(=O)OCC1.
What is the InChIKey of (3Z,9Z)-4,10-dimethyl-1,7-dioxacyclododeca-3,9-diene-2,8-dione?
The InChIKey is CBHNZDJUUAXCBA-XOHWUJONSA-N. The full InChI is InChI=1S/C12H16O4/c1-9-3-5-15-12(14)8-10(2)4-6-16-11(13)7-9/h7-8H,3-6H2,1-2H3/b9-7-,10-8-.
What are the key properties of (3Z,9Z)-4,10-dimethyl-1,7-dioxacyclododeca-3,9-diene-2,8-dione?
(3Z,9Z)-4,10-dimethyl-1,7-dioxacyclododeca-3,9-diene-2,8-dione has a molecular weight of 224.26 g/mol, XLogP of 1.76, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,9Z)-4,10-dimethyl-1,7-dioxacyclododeca-3,9-diene-2,8-dione is sourced from PubChem (CID 146684118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).